SCHEMBL2803298

SCHEMBL2803298

O=[C]C(=O)OC(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
LMNA P02545 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ELANE P08246 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL608613 0.81 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL212215 0.81 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4217288 0.79 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL735278 0.78 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL18269389 0.78 HCAR2 (0.46) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10930919 0.78 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL16672852 0.75 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL17724583 0.75 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL5555255 0.75 CA12 (0.44) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL5133280 0.75 CA12 (0.44) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772159-B2 Solution and solid phase synthesis of pyrrolinones and polypyrrolinones THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-08-10 US disclosed
US-6891046-B2 Solution and solid phase synthesis of pyrrolinones and polypyrrolinones TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2005-05-10 US disclosed
US-20050004371-A1 Solution and solid phase synthesis of pyrrolinones and polypyrrolinones NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-01-06 US disclosed
US-20020133027-A1 New solution and solid phase synthesis of pyrrolinones and polypyrrolinones TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2002-09-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050004371-A1 Solution and solid phase synthesis of pyrrolinones and polypyrrolinones VARS1, QPCT, AAAS ALDH1A1 2454/4885TDP1 2097/4885MAPK1 3027/4885
US-20020133027-A1 New solution and solid phase synthesis of pyrrolinones and polypyrrolinones VARS1, PPOX, QPCT ALDH1A1 2496/4885TDP1 1760/4885MAPK1 2836/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.